Formic Acid → HCID 69545914, compound
Reaction equation
[CH2:46]=[O:47].[CH3:43][CH2:44][OH:45].[CH:48]([OH:49])=[O:50].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([CH2:36][C:37](=[O:38])[O:39][CH3:40])[N:18]([NH:22][CH:23]4[CH2:24][CH2:25][N:26]([c:29]5[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]5)[CH2:27][CH2:28]4)[C:19](=[O:21])[CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1.[Na+:42].[OH-:41]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([CH2:36][C:37](=[O:38])[O:39][CH3:40])[N:18]([N:22]([CH:23]4[CH2:24][CH2:25][N:26]([c:29]5[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]5)[CH2:27][CH2:28]4)[CH3:43])[C:19](=[O:21])[CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-1e4c6b7f105544e69689a88ae3c76f7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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